8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one

C8H8O2 — CID 100927460

IUPAC8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
SMILESCC1=CC=CC(=O)C12CO2
InChIInChI=1S/C8H8O2/c1-6-3-2-4-7(9)8(6)5-10-8/h2-4H,5H2,1H3
InChIKeyUGPNVUCBPLQISN-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.84
Rot. Bonds

About 8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one

8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one (PubChem CID 100927460) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one.

Molecular Properties

Compound Name8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
PubChem CID100927460
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
SMILESCC1=CC=CC(=O)C12CO2
InChIInChI=1S/C8H8O2/c1-6-3-2-4-7(9)8(6)5-10-8/h2-4H,5H2,1H3
InChIKeyUGPNVUCBPLQISN-UHFFFAOYSA-N
XLogP0.84
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-6-methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 44424554
1-(7-Oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)ethan-1-one
CID 71416055
1-Oxaspiro[2.5]octa-5,7-dien-4-one
CID 72423380
5,7-Ditert-butyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 12674226
5-Tert-butyl-7-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 12674227
6,8-Dimethyl-5-prop-2-enyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 16112349
5,6,7,8-Tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 134892402
6-Methoxy-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 24973601
(3S)-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 58785337
(3R)-8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 60104840
(3R)-5-tert-butyl-7-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 60104841
ethane;(3R)-7-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 142133780

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The IUPAC name of 8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one (CID 100927460) is 8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one.
What is the SMILES notation for 8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The canonical SMILES for 8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one is CC1=CC=CC(=O)C12CO2.
What is the InChIKey of 8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The InChIKey is UGPNVUCBPLQISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-6-3-2-4-7(9)8(6)5-10-8/h2-4H,5H2,1H3.
What are the key properties of 8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one has a molecular weight of 136.15 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one is sourced from PubChem (CID 100927460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).